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(Acetonitrile)[(2-biphenyl)di-tert-butylphosphine]gold(I) hexafluoroantimonate

Catalog Number
ACM866641669
Product Name
(Acetonitrile)[(2-biphenyl)di-tert-butylphosphine]gold(I) hexafluoroantimonate
Structure
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CAS
866641-66-9
  • Product Overview
  • Usage
Synonyms
Acetonitrile;ditert-butyl-(2-phenylphenyl)phosphane;gold(1+);hexafluoroantimony(1-)
IUPAC Name
acetonitrile;ditert-butyl-(2-phenylphenyl)phosphane;gold(1+);hexafluoroantimony(1-);
Molecular Weight
772.2
Molecular Formula
C22H30AuF6NPSb
Canonical SMILES
CC#N.CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C.F[Sb-](F)(F)(F)(F)F.[Au+]
InChI
InChI=1S/C20H27P.C2H3N.Au.6FH.Sb/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16;1-2-3;/h7-15H,1-6H3;1H3;6*1H;/q;+1;+5/p-6
InChI Key
ADQOZROJMVWPRI-UHFFFAOYSA-H
Melting Point
198-203 °C
Purity
99%
Appearance
Powder
Complexity
392
Covalently-Bonded Unit Count
4
Exact Mass
771.07239
H-Bond Acceptor
8
Heavy Atom Count
32
Monoisotopic Mass
771.07239
Rotatable Bond Count
4
Topological Polar Surface Area
23.8 Ų
Application
Acetonitrile [(2-biphenyl)di-tert-butylphosphine]gold(I) hexafluoroantimonate serves as a versatile gold catalyst renowned for its role in facilitating diverse and complex chemical transformations. It is employed in the regio- and stereoselective synthesis of functionalized benzo[b]oxepines, enabling precise control in these reactions. This catalyst is also instrumental in the cyclization of o-(buta-1,3-diyn-1-yl)-substituted N-aryl ureas, as well as the cycloisomerization of 1,7-enyne esters, leading to the creation of structurally varied cis-tetrahydropyridin-4-yl ketones. Furthermore, its utility extends to the synthesis of coumarin-containing natural products and benzo[4,5]imidazo[1,2-a]quinazolinones, demonstrating its essential role in advancing modern synthetic organic chemistry.
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